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Patent code US9481688

Compile Data Set for Download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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3.37n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
[3H]-Ketanserin binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressi...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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7.01n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
[3H]-Ketanserin binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressi...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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20.6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared ...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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58.8n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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121n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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137n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
[125I]-()DOI binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressing...


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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328n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
[125I]-()DOI binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressing...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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592n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>2.06E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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2.78E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>3.98E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>4.23E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>4.57E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.51E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.58E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.68E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.76E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>5.83E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>8.81E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>8.99E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>1.02E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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>1.47E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Activity of compounds on native GABAA receptors is evaluated by monitoring calcium fluxes using a 96 well format FLIPR system (Fluorometric Imaging P...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologicall...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%